tert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate

C18H26N4O3 — CID 163562343

IUPACtert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate
SMILESCC(=O)c1ncc(NC(=O)OC(C)(C)C)nc1N1CCC2(CC1)CC2
InChIInChI=1S/C18H26N4O3/c1-12(23)14-15(22-9-7-18(5-6-18)8-10-22)20-13(11-19-14)21-16(24)25-17(2,3)4/h11H,5-10H2,1-4H3,(H,20,21,24)
InChIKeyNRFDDYOHIXQJFJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.41
Rot. Bonds3

About tert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate

tert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate (PubChem CID 163562343) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate
PubChem CID163562343
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Nametert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate
SMILESCC(=O)c1ncc(NC(=O)OC(C)(C)C)nc1N1CCC2(CC1)CC2
InChIInChI=1S/C18H26N4O3/c1-12(23)14-15(22-9-7-18(5-6-18)8-10-22)20-13(11-19-14)21-16(24)25-17(2,3)4/h11H,5-10H2,1-4H3,(H,20,21,24)
InChIKeyNRFDDYOHIXQJFJ-UHFFFAOYSA-N
XLogP3.41
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate (CID 163562343) is tert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate is CC(=O)c1ncc(NC(=O)OC(C)(C)C)nc1N1CCC2(CC1)CC2.
What is the InChIKey of tert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate?
The InChIKey is NRFDDYOHIXQJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12(23)14-15(22-9-7-18(5-6-18)8-10-22)20-13(11-19-14)21-16(24)25-17(2,3)4/h11H,5-10H2,1-4H3,(H,20,21,24).
What are the key properties of tert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate?
tert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate has a molecular weight of 346.43 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-acetyl-6-(6-azaspiro[2.5]octan-6-yl)pyrazin-2-yl]carbamate is sourced from PubChem (CID 163562343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).